USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl 176:sc= -0.0177 (180deg=-0.0402) USER MOD Set 1.2: A 67 GLN : amide:sc=-0.00574 K(o=-0.023,f=-0.78) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl 158:sc= -0.261 (180deg=-2.15) USER MOD Set 3.1: A 5 TYR OH : rot -140:sc= -0.442 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 153:sc= -1.71 (180deg=-3.48!) USER MOD Single : A 1 MET N :NH3+ -106:sc= -2.92! (180deg=-6.23!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -45:sc= 0.451 USER MOD Single : A 10 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.3!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 150:sc= -0.465 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 94:sc= 1.38 USER MOD Single : A 19 ASN : amide:sc= -0.398 K(o=-0.4,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 88:sc= 0.863 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.51 X(o=-3.5,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= 0.755 K(o=0.75,f=-4.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00753) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000531 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= 0.917 F(o=0,f=0.92) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -113:sc= 0.227 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.231 F(o=-2.4,f=-0.23) USER MOD Single : A 81 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.298 -1.970 12.048 1.00 0.00 N ATOM 2 CA MET A 1 2.375 -2.614 11.072 1.00 0.00 C ATOM 3 C MET A 1 2.355 -1.863 9.750 1.00 0.00 C ATOM 4 O MET A 1 1.955 -0.700 9.689 1.00 0.00 O ATOM 5 CB MET A 1 0.986 -2.654 11.699 1.00 0.00 C ATOM 6 CG MET A 1 -0.064 -3.389 10.892 1.00 0.00 C ATOM 7 SD MET A 1 -1.680 -3.360 11.690 1.00 0.00 S ATOM 8 CE MET A 1 -2.022 -1.601 11.704 1.00 0.00 C ATOM 0 H1 MET A 1 4.159 -2.545 12.143 1.00 0.00 H new ATOM 0 H2 MET A 1 3.552 -1.020 11.711 1.00 0.00 H new ATOM 0 H3 MET A 1 2.828 -1.895 12.973 1.00 0.00 H new ATOM 0 HA MET A 1 2.717 -3.625 10.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.061 -3.122 12.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.647 -1.630 11.859 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.141 -2.938 9.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.249 -4.423 10.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.100 -1.440 11.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.590 -1.154 12.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.584 -1.138 10.820 1.00 0.00 H new ATOM 20 N PHE A 2 2.796 -2.538 8.693 1.00 0.00 N ATOM 21 CA PHE A 2 2.846 -1.934 7.370 1.00 0.00 C ATOM 22 C PHE A 2 1.514 -1.302 7.004 1.00 0.00 C ATOM 23 O PHE A 2 0.454 -1.758 7.433 1.00 0.00 O ATOM 24 CB PHE A 2 3.247 -2.969 6.319 1.00 0.00 C ATOM 25 CG PHE A 2 4.690 -3.374 6.402 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.082 -4.424 7.215 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.653 -2.704 5.670 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.408 -4.798 7.295 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.981 -3.071 5.745 1.00 0.00 C ATOM 30 CZ PHE A 2 7.359 -4.122 6.560 1.00 0.00 C ATOM 0 H PHE A 2 3.123 -3.503 8.729 1.00 0.00 H new ATOM 0 HA PHE A 2 3.601 -1.148 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.622 -3.854 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.047 -2.565 5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.341 -4.957 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.362 -1.883 5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.701 -5.619 7.933 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.723 -2.539 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.397 -4.413 6.621 1.00 0.00 H new ATOM 40 N LYS A 3 1.582 -0.246 6.213 1.00 0.00 N ATOM 41 CA LYS A 3 0.395 0.464 5.785 1.00 0.00 C ATOM 42 C LYS A 3 0.250 0.382 4.275 1.00 0.00 C ATOM 43 O LYS A 3 1.106 0.863 3.537 1.00 0.00 O ATOM 44 CB LYS A 3 0.484 1.925 6.224 1.00 0.00 C ATOM 45 CG LYS A 3 0.122 2.147 7.684 1.00 0.00 C ATOM 46 CD LYS A 3 1.368 2.279 8.551 1.00 0.00 C ATOM 47 CE LYS A 3 1.246 3.435 9.532 1.00 0.00 C ATOM 48 NZ LYS A 3 0.720 2.990 10.853 1.00 0.00 N ATOM 0 H LYS A 3 2.455 0.139 5.853 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.480 0.004 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.498 2.286 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.179 2.524 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.485 3.047 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.485 1.315 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.531 1.351 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.240 2.431 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.222 3.900 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.586 4.196 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.652 3.807 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.223 2.569 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.363 2.283 11.262 1.00 0.00 H new ATOM 62 N VAL A 4 -0.823 -0.243 3.810 1.00 0.00 N ATOM 63 CA VAL A 4 -1.031 -0.370 2.376 1.00 0.00 C ATOM 64 C VAL A 4 -2.198 0.471 1.878 1.00 0.00 C ATOM 65 O VAL A 4 -3.319 0.379 2.381 1.00 0.00 O ATOM 66 CB VAL A 4 -1.252 -1.830 1.940 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.760 -1.881 0.510 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.033 -2.620 2.060 1.00 0.00 C ATOM 0 H VAL A 4 -1.549 -0.662 4.392 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.110 0.000 1.925 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.999 -2.275 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.912 -2.919 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.705 -1.342 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.028 -1.419 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.142 -3.649 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.796 -2.172 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.372 -2.608 3.096 1.00 0.00 H new ATOM 78 N TYR A 5 -1.914 1.257 0.848 1.00 0.00 N ATOM 79 CA TYR A 5 -2.904 2.105 0.214 1.00 0.00 C ATOM 80 C TYR A 5 -3.249 1.547 -1.163 1.00 0.00 C ATOM 81 O TYR A 5 -2.447 1.641 -2.090 1.00 0.00 O ATOM 82 CB TYR A 5 -2.362 3.532 0.064 1.00 0.00 C ATOM 83 CG TYR A 5 -2.019 4.210 1.373 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.746 3.945 2.524 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.975 5.129 1.454 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.447 4.571 3.716 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.672 5.756 2.645 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.411 5.476 3.771 1.00 0.00 C ATOM 89 OH TYR A 5 -1.112 6.103 4.958 1.00 0.00 O ATOM 0 H TYR A 5 -0.986 1.322 0.430 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.799 2.128 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.470 3.505 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.102 4.136 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.560 3.236 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.394 5.354 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.023 4.352 4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.142 6.464 2.693 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.890 7.042 4.785 1.00 0.00 H new ATOM 99 N GLY A 6 -4.429 0.954 -1.298 1.00 0.00 N ATOM 100 CA GLY A 6 -4.817 0.392 -2.576 1.00 0.00 C ATOM 101 C GLY A 6 -6.261 -0.062 -2.604 1.00 0.00 C ATOM 102 O GLY A 6 -7.152 0.632 -2.112 1.00 0.00 O ATOM 0 H GLY A 6 -5.118 0.853 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.660 1.136 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.170 -0.455 -2.807 1.00 0.00 H new ATOM 106 N TYR A 7 -6.489 -1.230 -3.193 1.00 0.00 N ATOM 107 CA TYR A 7 -7.815 -1.797 -3.305 1.00 0.00 C ATOM 108 C TYR A 7 -7.849 -3.194 -2.686 1.00 0.00 C ATOM 109 O TYR A 7 -6.950 -4.003 -2.915 1.00 0.00 O ATOM 110 CB TYR A 7 -8.216 -1.860 -4.774 1.00 0.00 C ATOM 111 CG TYR A 7 -8.060 -0.541 -5.497 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.542 0.637 -4.944 1.00 0.00 C ATOM 113 CD2 TYR A 7 -7.422 -0.474 -6.730 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.393 1.844 -5.599 1.00 0.00 C ATOM 115 CE2 TYR A 7 -7.268 0.729 -7.390 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.755 1.885 -6.820 1.00 0.00 C ATOM 117 OH TYR A 7 -7.605 3.086 -7.475 1.00 0.00 O ATOM 0 H TYR A 7 -5.755 -1.806 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.522 -1.166 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.611 -2.615 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.254 -2.185 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.041 0.610 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.040 -1.379 -7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.775 2.752 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.769 0.764 -8.347 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.133 2.940 -8.321 1.00 0.00 H new ATOM 127 N ASP A 8 -8.872 -3.463 -1.884 1.00 0.00 N ATOM 128 CA ASP A 8 -8.997 -4.756 -1.218 1.00 0.00 C ATOM 129 C ASP A 8 -9.987 -5.660 -1.944 1.00 0.00 C ATOM 130 O ASP A 8 -10.764 -6.376 -1.313 1.00 0.00 O ATOM 131 CB ASP A 8 -9.434 -4.559 0.235 1.00 0.00 C ATOM 132 CG ASP A 8 -8.800 -5.572 1.167 1.00 0.00 C ATOM 133 OD1 ASP A 8 -7.608 -5.892 0.973 1.00 0.00 O ATOM 134 OD2 ASP A 8 -9.496 -6.047 2.087 1.00 0.00 O ATOM 0 H ASP A 8 -9.625 -2.806 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.021 -5.241 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.167 -3.553 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.519 -4.638 0.300 1.00 0.00 H new ATOM 139 N SER A 9 -9.956 -5.613 -3.274 1.00 0.00 N ATOM 140 CA SER A 9 -10.855 -6.421 -4.090 1.00 0.00 C ATOM 141 C SER A 9 -12.319 -6.074 -3.787 1.00 0.00 C ATOM 142 O SER A 9 -13.230 -6.812 -4.166 1.00 0.00 O ATOM 143 CB SER A 9 -10.603 -7.911 -3.837 1.00 0.00 C ATOM 144 OG SER A 9 -11.272 -8.712 -4.795 1.00 0.00 O ATOM 0 H SER A 9 -9.318 -5.024 -3.808 1.00 0.00 H new ATOM 0 HA SER A 9 -10.658 -6.202 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.533 -8.113 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.943 -8.176 -2.836 1.00 0.00 H new ATOM 0 HG SER A 9 -12.189 -8.386 -4.911 1.00 0.00 H new ATOM 150 N ASN A 10 -12.534 -4.951 -3.097 1.00 0.00 N ATOM 151 CA ASN A 10 -13.878 -4.510 -2.737 1.00 0.00 C ATOM 152 C ASN A 10 -14.505 -3.698 -3.866 1.00 0.00 C ATOM 153 O ASN A 10 -15.610 -3.998 -4.318 1.00 0.00 O ATOM 154 CB ASN A 10 -13.825 -3.683 -1.448 1.00 0.00 C ATOM 155 CG ASN A 10 -15.163 -3.628 -0.735 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.215 -3.492 -1.364 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.133 -3.735 0.589 1.00 0.00 N ATOM 0 H ASN A 10 -11.790 -4.331 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.500 -5.390 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.078 -4.108 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.501 -2.669 -1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.002 -3.706 1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.241 -3.846 1.072 1.00 0.00 H new ATOM 164 N ILE A 11 -13.790 -2.669 -4.315 1.00 0.00 N ATOM 165 CA ILE A 11 -14.277 -1.811 -5.396 1.00 0.00 C ATOM 166 C ILE A 11 -13.477 -1.971 -6.694 1.00 0.00 C ATOM 167 O ILE A 11 -13.903 -1.494 -7.748 1.00 0.00 O ATOM 168 CB ILE A 11 -14.204 -0.321 -5.020 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.864 -0.051 -3.668 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.827 0.517 -6.126 1.00 0.00 C ATOM 171 CD1 ILE A 11 -14.937 1.424 -3.326 1.00 0.00 C ATOM 0 H ILE A 11 -12.874 -2.408 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.308 -2.129 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.157 -0.037 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -15.871 -0.467 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.308 -0.572 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.774 1.572 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.284 0.352 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.870 0.228 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.416 1.549 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.930 1.840 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.518 1.946 -4.087 1.00 0.00 H new ATOM 183 N HIS A 12 -12.302 -2.585 -6.613 1.00 0.00 N ATOM 184 CA HIS A 12 -11.445 -2.732 -7.789 1.00 0.00 C ATOM 185 C HIS A 12 -10.428 -3.856 -7.543 1.00 0.00 C ATOM 186 O HIS A 12 -10.044 -4.125 -6.397 1.00 0.00 O ATOM 187 CB HIS A 12 -10.764 -1.386 -8.061 1.00 0.00 C ATOM 188 CG HIS A 12 -10.318 -1.123 -9.464 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.163 -0.794 -10.506 1.00 0.00 N ATOM 190 CD2 HIS A 12 -9.067 -1.027 -9.958 1.00 0.00 C ATOM 191 CE1 HIS A 12 -10.409 -0.522 -11.577 1.00 0.00 C ATOM 192 NE2 HIS A 12 -9.130 -0.650 -11.295 1.00 0.00 N ATOM 0 H HIS A 12 -11.922 -2.986 -5.756 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.027 -3.008 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.453 -0.593 -7.770 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.894 -1.308 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.159 -1.213 -9.403 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.798 -0.236 -12.543 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.344 -0.503 -11.929 1.00 0.00 H new ATOM 200 N LYS A 13 -10.046 -4.546 -8.612 1.00 0.00 N ATOM 201 CA LYS A 13 -9.129 -5.696 -8.518 1.00 0.00 C ATOM 202 C LYS A 13 -7.678 -5.321 -8.232 1.00 0.00 C ATOM 203 O LYS A 13 -7.240 -4.191 -8.457 1.00 0.00 O ATOM 204 CB LYS A 13 -9.195 -6.558 -9.787 1.00 0.00 C ATOM 205 CG LYS A 13 -9.214 -8.051 -9.486 1.00 0.00 C ATOM 206 CD LYS A 13 -8.645 -8.888 -10.626 1.00 0.00 C ATOM 207 CE LYS A 13 -7.874 -10.091 -10.095 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.668 -11.350 -10.177 1.00 0.00 N ATOM 0 H LYS A 13 -10.354 -4.334 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.479 -6.265 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.088 -6.295 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.337 -6.331 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.640 -8.242 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.239 -8.364 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.455 -9.228 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.987 -8.273 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.951 -10.208 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.590 -9.910 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.104 -12.141 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.537 -11.250 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.918 -11.539 -11.169 1.00 0.00 H new ATOM 222 N CYS A 14 -6.947 -6.316 -7.723 1.00 0.00 N ATOM 223 CA CYS A 14 -5.535 -6.177 -7.373 1.00 0.00 C ATOM 224 C CYS A 14 -4.906 -7.551 -7.135 1.00 0.00 C ATOM 225 O CYS A 14 -5.326 -8.274 -6.232 1.00 0.00 O ATOM 226 CB CYS A 14 -5.375 -5.334 -6.106 1.00 0.00 C ATOM 227 SG CYS A 14 -3.944 -4.234 -6.128 1.00 0.00 S ATOM 0 H CYS A 14 -7.323 -7.247 -7.542 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.032 -5.683 -8.204 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.276 -4.737 -5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.294 -6.000 -5.247 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.199 -3.176 -5.417 1.00 0.00 H new ATOM 233 N VAL A 15 -3.894 -7.907 -7.929 1.00 0.00 N ATOM 234 CA VAL A 15 -3.218 -9.202 -7.767 1.00 0.00 C ATOM 235 C VAL A 15 -2.038 -9.090 -6.806 1.00 0.00 C ATOM 236 O VAL A 15 -1.692 -10.045 -6.113 1.00 0.00 O ATOM 237 CB VAL A 15 -2.692 -9.753 -9.107 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.839 -10.224 -9.984 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.846 -8.712 -9.831 1.00 0.00 C ATOM 0 H VAL A 15 -3.526 -7.327 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.967 -9.885 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.056 -10.611 -8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.444 -10.609 -10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.389 -11.013 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.509 -9.388 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.487 -9.126 -10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.450 -7.827 -10.030 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.995 -8.438 -9.208 1.00 0.00 H new ATOM 249 N TYR A 16 -1.417 -7.917 -6.790 1.00 0.00 N ATOM 250 CA TYR A 16 -0.262 -7.665 -5.938 1.00 0.00 C ATOM 251 C TYR A 16 -0.613 -7.782 -4.459 1.00 0.00 C ATOM 252 O TYR A 16 0.238 -8.123 -3.637 1.00 0.00 O ATOM 253 CB TYR A 16 0.298 -6.278 -6.235 1.00 0.00 C ATOM 254 CG TYR A 16 1.173 -6.235 -7.469 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.474 -6.720 -7.436 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.697 -5.711 -8.665 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.276 -6.684 -8.560 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.494 -5.671 -9.793 1.00 0.00 C ATOM 259 CZ TYR A 16 2.783 -6.158 -9.734 1.00 0.00 C ATOM 260 OH TYR A 16 3.581 -6.119 -10.856 1.00 0.00 O ATOM 0 H TYR A 16 -1.697 -7.120 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 16 0.491 -8.422 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.529 -5.580 -6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.876 -5.936 -5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.865 -7.132 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.312 -5.329 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.285 -7.067 -8.519 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.110 -5.261 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 16 3.082 -5.719 -11.599 1.00 0.00 H new ATOM 270 N CYS A 17 -1.864 -7.496 -4.121 1.00 0.00 N ATOM 271 CA CYS A 17 -2.309 -7.576 -2.735 1.00 0.00 C ATOM 272 C CYS A 17 -2.118 -8.987 -2.194 1.00 0.00 C ATOM 273 O CYS A 17 -1.591 -9.181 -1.099 1.00 0.00 O ATOM 274 CB CYS A 17 -3.777 -7.164 -2.623 1.00 0.00 C ATOM 275 SG CYS A 17 -4.316 -6.803 -0.935 1.00 0.00 S ATOM 0 H CYS A 17 -2.585 -7.208 -4.783 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.706 -6.890 -2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.944 -6.283 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.399 -7.962 -3.029 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.209 -5.527 -0.709 1.00 0.00 H new ATOM 281 N ASP A 18 -2.546 -9.972 -2.976 1.00 0.00 N ATOM 282 CA ASP A 18 -2.424 -11.373 -2.581 1.00 0.00 C ATOM 283 C ASP A 18 -0.959 -11.776 -2.418 1.00 0.00 C ATOM 284 O ASP A 18 -0.626 -12.604 -1.569 1.00 0.00 O ATOM 285 CB ASP A 18 -3.097 -12.277 -3.614 1.00 0.00 C ATOM 286 CG ASP A 18 -3.557 -13.592 -3.016 1.00 0.00 C ATOM 287 OD1 ASP A 18 -2.705 -14.483 -2.814 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.769 -13.731 -2.747 1.00 0.00 O ATOM 0 H ASP A 18 -2.981 -9.828 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.922 -11.492 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.953 -11.758 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.401 -12.475 -4.429 1.00 0.00 H new ATOM 293 N ASN A 19 -0.088 -11.195 -3.240 1.00 0.00 N ATOM 294 CA ASN A 19 1.338 -11.506 -3.184 1.00 0.00 C ATOM 295 C ASN A 19 1.993 -10.854 -1.970 1.00 0.00 C ATOM 296 O ASN A 19 2.750 -11.497 -1.242 1.00 0.00 O ATOM 297 CB ASN A 19 2.037 -11.051 -4.466 1.00 0.00 C ATOM 298 CG ASN A 19 1.580 -11.832 -5.683 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.535 -13.062 -5.664 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.240 -11.119 -6.750 1.00 0.00 N ATOM 0 H ASN A 19 -0.344 -10.509 -3.950 1.00 0.00 H new ATOM 0 HA ASN A 19 1.442 -12.587 -3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.844 -9.990 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.115 -11.164 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.926 -11.589 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.293 -10.101 -6.721 1.00 0.00 H new ATOM 307 N ALA A 20 1.699 -9.578 -1.752 1.00 0.00 N ATOM 308 CA ALA A 20 2.262 -8.851 -0.622 1.00 0.00 C ATOM 309 C ALA A 20 1.733 -9.405 0.696 1.00 0.00 C ATOM 310 O ALA A 20 2.477 -9.548 1.666 1.00 0.00 O ATOM 311 CB ALA A 20 1.950 -7.367 -0.737 1.00 0.00 C ATOM 0 H ALA A 20 1.075 -9.027 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 20 3.344 -8.982 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.378 -6.838 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.379 -6.975 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.870 -7.222 -0.749 1.00 0.00 H new ATOM 317 N LYS A 21 0.443 -9.727 0.720 1.00 0.00 N ATOM 318 CA LYS A 21 -0.189 -10.270 1.917 1.00 0.00 C ATOM 319 C LYS A 21 0.421 -11.619 2.287 1.00 0.00 C ATOM 320 O LYS A 21 0.931 -11.797 3.393 1.00 0.00 O ATOM 321 CB LYS A 21 -1.697 -10.420 1.698 1.00 0.00 C ATOM 322 CG LYS A 21 -2.426 -11.051 2.875 1.00 0.00 C ATOM 323 CD LYS A 21 -2.933 -12.445 2.536 1.00 0.00 C ATOM 324 CE LYS A 21 -2.919 -13.353 3.755 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.008 -13.016 4.712 1.00 0.00 N ATOM 0 H LYS A 21 -0.185 -9.621 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.016 -9.575 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.126 -9.438 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.868 -11.027 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.755 -11.105 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.265 -10.419 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.947 -12.379 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.313 -12.878 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.024 -14.390 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.956 -13.270 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.963 -13.658 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.894 -12.035 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.929 -13.120 4.240 1.00 0.00 H new ATOM 339 N ARG A 22 0.368 -12.567 1.354 1.00 0.00 N ATOM 340 CA ARG A 22 0.919 -13.898 1.592 1.00 0.00 C ATOM 341 C ARG A 22 2.399 -13.805 1.942 1.00 0.00 C ATOM 342 O ARG A 22 2.884 -14.507 2.831 1.00 0.00 O ATOM 343 CB ARG A 22 0.718 -14.796 0.367 1.00 0.00 C ATOM 344 CG ARG A 22 1.438 -14.309 -0.880 1.00 0.00 C ATOM 345 CD ARG A 22 2.812 -14.947 -1.015 1.00 0.00 C ATOM 346 NE ARG A 22 2.768 -16.182 -1.797 1.00 0.00 N ATOM 347 CZ ARG A 22 2.719 -16.218 -3.127 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.712 -15.091 -3.827 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.680 -17.383 -3.757 1.00 0.00 N ATOM 0 H ARG A 22 -0.048 -12.439 0.432 1.00 0.00 H new ATOM 0 HA ARG A 22 0.387 -14.342 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.065 -15.801 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.348 -14.869 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.840 -14.541 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.541 -13.225 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.494 -14.242 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.212 -15.160 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 22 2.775 -17.069 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.744 -14.192 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.674 -15.124 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.687 -18.252 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.642 -17.411 -4.776 1.00 0.00 H new ATOM 363 N LEU A 23 3.108 -12.920 1.250 1.00 0.00 N ATOM 364 CA LEU A 23 4.531 -12.714 1.496 1.00 0.00 C ATOM 365 C LEU A 23 4.757 -12.286 2.942 1.00 0.00 C ATOM 366 O LEU A 23 5.525 -12.908 3.673 1.00 0.00 O ATOM 367 CB LEU A 23 5.080 -11.653 0.534 1.00 0.00 C ATOM 368 CG LEU A 23 6.439 -11.053 0.911 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.127 -10.484 -0.320 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.273 -9.974 1.973 1.00 0.00 C ATOM 0 H LEU A 23 2.720 -12.332 0.512 1.00 0.00 H new ATOM 0 HA LEU A 23 5.060 -13.651 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.162 -12.097 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.354 -10.844 0.462 1.00 0.00 H new ATOM 0 HG LEU A 23 7.063 -11.847 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.091 -10.062 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.280 -11.278 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.504 -9.704 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.249 -9.560 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.632 -9.181 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.819 -10.407 2.864 1.00 0.00 H new ATOM 382 N LEU A 24 4.074 -11.218 3.345 1.00 0.00 N ATOM 383 CA LEU A 24 4.194 -10.701 4.704 1.00 0.00 C ATOM 384 C LEU A 24 3.871 -11.787 5.723 1.00 0.00 C ATOM 385 O LEU A 24 4.599 -11.973 6.698 1.00 0.00 O ATOM 386 CB LEU A 24 3.262 -9.506 4.899 1.00 0.00 C ATOM 387 CG LEU A 24 3.717 -8.220 4.209 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.518 -7.418 3.729 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.572 -7.386 5.149 1.00 0.00 C ATOM 0 H LEU A 24 3.432 -10.694 2.750 1.00 0.00 H new ATOM 0 HA LEU A 24 5.223 -10.377 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.272 -9.771 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.160 -9.313 5.967 1.00 0.00 H new ATOM 0 HG LEU A 24 4.319 -8.490 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.862 -6.506 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.942 -8.014 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.889 -7.158 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.887 -6.474 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.992 -7.126 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.451 -7.958 5.446 1.00 0.00 H new ATOM 401 N THR A 25 2.781 -12.512 5.485 1.00 0.00 N ATOM 402 CA THR A 25 2.375 -13.590 6.379 1.00 0.00 C ATOM 403 C THR A 25 3.512 -14.592 6.534 1.00 0.00 C ATOM 404 O THR A 25 3.758 -15.113 7.622 1.00 0.00 O ATOM 405 CB THR A 25 1.126 -14.289 5.839 1.00 0.00 C ATOM 406 OG1 THR A 25 0.257 -13.357 5.220 1.00 0.00 O ATOM 407 CG2 THR A 25 0.336 -15.014 6.907 1.00 0.00 C ATOM 0 H THR A 25 2.166 -12.373 4.683 1.00 0.00 H new ATOM 0 HA THR A 25 2.140 -13.166 7.355 1.00 0.00 H new ATOM 0 HB THR A 25 1.494 -15.023 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.500 -13.261 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.536 -15.487 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.964 -15.776 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.011 -14.302 7.665 1.00 0.00 H new ATOM 415 N VAL A 26 4.218 -14.833 5.433 1.00 0.00 N ATOM 416 CA VAL A 26 5.349 -15.750 5.422 1.00 0.00 C ATOM 417 C VAL A 26 6.591 -15.074 5.998 1.00 0.00 C ATOM 418 O VAL A 26 7.456 -15.728 6.581 1.00 0.00 O ATOM 419 CB VAL A 26 5.653 -16.235 3.991 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.781 -17.256 3.991 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.401 -16.814 3.348 1.00 0.00 C ATOM 0 H VAL A 26 4.023 -14.401 4.530 1.00 0.00 H new ATOM 0 HA VAL A 26 5.084 -16.609 6.038 1.00 0.00 H new ATOM 0 HB VAL A 26 5.977 -15.377 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.976 -17.583 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.682 -16.803 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.494 -18.115 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.634 -17.152 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.045 -17.657 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.627 -16.048 3.305 1.00 0.00 H new ATOM 431 N LYS A 27 6.666 -13.757 5.830 1.00 0.00 N ATOM 432 CA LYS A 27 7.793 -12.979 6.330 1.00 0.00 C ATOM 433 C LYS A 27 7.708 -12.798 7.845 1.00 0.00 C ATOM 434 O LYS A 27 8.679 -12.392 8.485 1.00 0.00 O ATOM 435 CB LYS A 27 7.832 -11.610 5.642 1.00 0.00 C ATOM 436 CG LYS A 27 9.208 -11.225 5.118 1.00 0.00 C ATOM 437 CD LYS A 27 9.324 -11.461 3.620 1.00 0.00 C ATOM 438 CE LYS A 27 10.390 -12.497 3.297 1.00 0.00 C ATOM 439 NZ LYS A 27 9.937 -13.455 2.251 1.00 0.00 N ATOM 0 H LYS A 27 5.956 -13.205 5.349 1.00 0.00 H new ATOM 0 HA LYS A 27 8.709 -13.524 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.125 -11.610 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.496 -10.850 6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.400 -10.175 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.971 -11.804 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.363 -11.793 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.565 -10.522 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.295 -11.993 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.649 -13.045 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.693 -14.144 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.088 -13.955 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.714 -12.936 1.378 1.00 0.00 H new ATOM 453 N LYS A 28 6.541 -13.099 8.417 1.00 0.00 N ATOM 454 CA LYS A 28 6.333 -12.967 9.856 1.00 0.00 C ATOM 455 C LYS A 28 6.338 -11.500 10.275 1.00 0.00 C ATOM 456 O LYS A 28 6.979 -11.123 11.256 1.00 0.00 O ATOM 457 CB LYS A 28 7.408 -13.737 10.626 1.00 0.00 C ATOM 458 CG LYS A 28 7.583 -15.170 10.150 1.00 0.00 C ATOM 459 CD LYS A 28 6.278 -15.945 10.227 1.00 0.00 C ATOM 460 CE LYS A 28 5.892 -16.241 11.667 1.00 0.00 C ATOM 461 NZ LYS A 28 6.580 -17.453 12.189 1.00 0.00 N ATOM 0 H LYS A 28 5.726 -13.436 7.904 1.00 0.00 H new ATOM 0 HA LYS A 28 5.357 -13.390 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.358 -13.212 10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.151 -13.743 11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.948 -15.171 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.339 -15.667 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.484 -15.373 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.375 -16.880 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.141 -15.384 12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.813 -16.380 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.290 -17.620 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.322 -18.276 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.610 -17.311 12.151 1.00 0.00 H new ATOM 475 N GLN A 29 5.614 -10.677 9.525 1.00 0.00 N ATOM 476 CA GLN A 29 5.530 -9.253 9.816 1.00 0.00 C ATOM 477 C GLN A 29 4.076 -8.805 9.919 1.00 0.00 C ATOM 478 O GLN A 29 3.227 -9.249 9.147 1.00 0.00 O ATOM 479 CB GLN A 29 6.243 -8.446 8.728 1.00 0.00 C ATOM 480 CG GLN A 29 7.702 -8.157 9.040 1.00 0.00 C ATOM 481 CD GLN A 29 8.555 -9.411 9.073 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.848 -9.949 10.139 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.959 -9.883 7.899 1.00 0.00 N ATOM 0 H GLN A 29 5.077 -10.973 8.710 1.00 0.00 H new ATOM 0 HA GLN A 29 6.019 -9.074 10.774 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.183 -8.991 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.717 -7.502 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.100 -7.472 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.770 -7.651 10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.693 -9.405 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.536 -10.723 7.858 1.00 0.00 H new ATOM 492 N PRO A 30 3.767 -7.906 10.869 1.00 0.00 N ATOM 493 CA PRO A 30 2.410 -7.394 11.055 1.00 0.00 C ATOM 494 C PRO A 30 2.103 -6.270 10.080 1.00 0.00 C ATOM 495 O PRO A 30 2.957 -5.425 9.819 1.00 0.00 O ATOM 496 CB PRO A 30 2.456 -6.850 12.476 1.00 0.00 C ATOM 497 CG PRO A 30 3.844 -6.329 12.600 1.00 0.00 C ATOM 498 CD PRO A 30 4.710 -7.302 11.837 1.00 0.00 C ATOM 0 HA PRO A 30 1.644 -8.151 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.716 -6.064 12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.252 -7.628 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.924 -5.324 12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.149 -6.268 13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.535 -6.798 11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.148 -8.053 12.495 1.00 0.00 H new ATOM 506 N PHE A 31 0.891 -6.248 9.549 1.00 0.00 N ATOM 507 CA PHE A 31 0.512 -5.204 8.610 1.00 0.00 C ATOM 508 C PHE A 31 -0.999 -5.024 8.533 1.00 0.00 C ATOM 509 O PHE A 31 -1.759 -5.837 9.058 1.00 0.00 O ATOM 510 CB PHE A 31 1.064 -5.515 7.239 1.00 0.00 C ATOM 511 CG PHE A 31 0.390 -6.684 6.608 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.749 -6.510 5.854 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.886 -7.960 6.794 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.393 -7.591 5.293 1.00 0.00 C ATOM 515 CE2 PHE A 31 0.254 -9.048 6.235 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.891 -8.866 5.481 1.00 0.00 C ATOM 0 H PHE A 31 0.161 -6.932 9.749 1.00 0.00 H new ATOM 0 HA PHE A 31 0.937 -4.268 8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.948 -4.642 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.133 -5.714 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.142 -5.516 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.779 -8.106 7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.288 -7.443 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.651 -10.041 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.391 -9.716 5.041 1.00 0.00 H new ATOM 526 N GLU A 32 -1.428 -3.955 7.864 1.00 0.00 N ATOM 527 CA GLU A 32 -2.851 -3.678 7.713 1.00 0.00 C ATOM 528 C GLU A 32 -3.141 -2.987 6.387 1.00 0.00 C ATOM 529 O GLU A 32 -2.395 -2.111 5.949 1.00 0.00 O ATOM 530 CB GLU A 32 -3.359 -2.812 8.868 1.00 0.00 C ATOM 531 CG GLU A 32 -4.226 -3.571 9.859 1.00 0.00 C ATOM 532 CD GLU A 32 -5.648 -3.758 9.367 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.875 -4.660 8.534 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.535 -3.002 9.816 1.00 0.00 O ATOM 0 H GLU A 32 -0.813 -3.272 7.421 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.374 -4.634 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.505 -2.387 9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.931 -1.978 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.781 -4.547 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.241 -3.035 10.808 1.00 0.00 H new ATOM 541 N PHE A 33 -4.237 -3.392 5.758 1.00 0.00 N ATOM 542 CA PHE A 33 -4.652 -2.823 4.489 1.00 0.00 C ATOM 543 C PHE A 33 -5.554 -1.619 4.714 1.00 0.00 C ATOM 544 O PHE A 33 -6.115 -1.443 5.795 1.00 0.00 O ATOM 545 CB PHE A 33 -5.395 -3.882 3.675 1.00 0.00 C ATOM 546 CG PHE A 33 -5.329 -3.655 2.199 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.144 -3.848 1.516 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.448 -3.248 1.499 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.075 -3.637 0.153 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.387 -3.034 0.136 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.197 -3.228 -0.538 1.00 0.00 C ATOM 0 H PHE A 33 -4.858 -4.120 6.113 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.767 -2.496 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.977 -4.863 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.440 -3.900 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.263 -4.167 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.380 -3.096 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.144 -3.792 -0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.268 -2.716 -0.402 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.145 -3.060 -1.604 1.00 0.00 H new ATOM 561 N ILE A 34 -5.691 -0.791 3.686 1.00 0.00 N ATOM 562 CA ILE A 34 -6.530 0.394 3.765 1.00 0.00 C ATOM 563 C ILE A 34 -7.105 0.730 2.402 1.00 0.00 C ATOM 564 O ILE A 34 -6.372 0.947 1.437 1.00 0.00 O ATOM 565 CB ILE A 34 -5.761 1.623 4.291 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.878 1.242 5.479 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.733 2.724 4.680 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.876 2.314 5.855 1.00 0.00 C ATOM 0 H ILE A 34 -5.229 -0.921 2.786 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.330 0.160 4.468 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.116 1.993 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.512 1.031 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.343 0.322 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.177 3.586 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.319 3.017 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.401 2.361 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.284 1.976 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.218 2.509 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.405 3.229 6.122 1.00 0.00 H new ATOM 580 N ASN A 35 -8.422 0.772 2.335 1.00 0.00 N ATOM 581 CA ASN A 35 -9.114 1.083 1.093 1.00 0.00 C ATOM 582 C ASN A 35 -9.105 2.585 0.846 1.00 0.00 C ATOM 583 O ASN A 35 -9.756 3.346 1.562 1.00 0.00 O ATOM 584 CB ASN A 35 -10.553 0.561 1.136 1.00 0.00 C ATOM 585 CG ASN A 35 -11.282 0.964 2.404 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.800 0.729 3.512 1.00 0.00 O ATOM 587 ND2 ASN A 35 -12.452 1.568 2.245 1.00 0.00 N ATOM 0 H ASN A 35 -9.039 0.594 3.128 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.591 0.590 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.099 0.939 0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.544 -0.526 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.991 1.858 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.813 1.742 1.307 1.00 0.00 H new ATOM 594 N ILE A 36 -8.356 3.007 -0.165 1.00 0.00 N ATOM 595 CA ILE A 36 -8.257 4.421 -0.501 1.00 0.00 C ATOM 596 C ILE A 36 -9.386 4.858 -1.430 1.00 0.00 C ATOM 597 O ILE A 36 -9.485 6.031 -1.788 1.00 0.00 O ATOM 598 CB ILE A 36 -6.907 4.743 -1.167 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.754 3.965 -2.477 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.765 4.421 -0.218 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.156 4.785 -3.600 1.00 0.00 C ATOM 0 H ILE A 36 -7.809 2.391 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.337 4.971 0.437 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.878 5.808 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.125 3.092 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.732 3.596 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.815 4.653 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.867 5.017 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.793 3.362 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.077 4.171 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.795 5.644 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.164 5.132 -3.309 1.00 0.00 H new ATOM 613 N MET A 37 -10.234 3.912 -1.821 1.00 0.00 N ATOM 614 CA MET A 37 -11.347 4.213 -2.708 1.00 0.00 C ATOM 615 C MET A 37 -12.683 3.895 -2.044 1.00 0.00 C ATOM 616 O MET A 37 -13.041 2.729 -1.887 1.00 0.00 O ATOM 617 CB MET A 37 -11.214 3.427 -4.015 1.00 0.00 C ATOM 618 CG MET A 37 -12.281 3.764 -5.046 1.00 0.00 C ATOM 619 SD MET A 37 -12.337 2.573 -6.406 1.00 0.00 S ATOM 620 CE MET A 37 -11.044 3.187 -7.489 1.00 0.00 C ATOM 0 H MET A 37 -10.170 2.934 -1.538 1.00 0.00 H new ATOM 0 HA MET A 37 -11.320 5.280 -2.928 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.232 3.621 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.260 2.361 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.255 3.798 -4.558 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.091 4.759 -5.448 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.699 2.381 -8.137 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.436 4.001 -8.099 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.210 3.552 -6.889 1.00 0.00 H new ATOM 630 N PRO A 38 -13.446 4.929 -1.646 1.00 0.00 N ATOM 631 CA PRO A 38 -14.750 4.746 -1.009 1.00 0.00 C ATOM 632 C PRO A 38 -15.835 4.432 -2.034 1.00 0.00 C ATOM 633 O PRO A 38 -16.821 3.761 -1.730 1.00 0.00 O ATOM 634 CB PRO A 38 -15.006 6.101 -0.358 1.00 0.00 C ATOM 635 CG PRO A 38 -14.315 7.073 -1.250 1.00 0.00 C ATOM 636 CD PRO A 38 -13.101 6.359 -1.788 1.00 0.00 C ATOM 0 HA PRO A 38 -14.763 3.912 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.073 6.314 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.607 6.137 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.970 7.392 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.028 7.970 -0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.909 6.623 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.204 6.613 -1.223 1.00 0.00 H new ATOM 644 N GLU A 39 -15.637 4.924 -3.254 1.00 0.00 N ATOM 645 CA GLU A 39 -16.585 4.705 -4.338 1.00 0.00 C ATOM 646 C GLU A 39 -15.852 4.437 -5.648 1.00 0.00 C ATOM 647 O GLU A 39 -14.725 4.893 -5.842 1.00 0.00 O ATOM 648 CB GLU A 39 -17.503 5.919 -4.494 1.00 0.00 C ATOM 649 CG GLU A 39 -18.866 5.585 -5.081 1.00 0.00 C ATOM 650 CD GLU A 39 -19.967 6.482 -4.548 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.086 7.627 -5.033 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.708 6.040 -3.645 1.00 0.00 O ATOM 0 H GLU A 39 -14.823 5.480 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.189 3.832 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.642 6.386 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.013 6.654 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.822 5.676 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.109 4.546 -4.858 1.00 0.00 H new ATOM 659 N LYS A 40 -16.498 3.699 -6.546 1.00 0.00 N ATOM 660 CA LYS A 40 -15.900 3.375 -7.840 1.00 0.00 C ATOM 661 C LYS A 40 -15.703 4.612 -8.704 1.00 0.00 C ATOM 662 O LYS A 40 -15.070 4.560 -9.758 1.00 0.00 O ATOM 663 CB LYS A 40 -16.743 2.336 -8.583 1.00 0.00 C ATOM 664 CG LYS A 40 -18.217 2.696 -8.671 1.00 0.00 C ATOM 665 CD LYS A 40 -18.918 1.907 -9.767 1.00 0.00 C ATOM 666 CE LYS A 40 -20.347 2.385 -9.972 1.00 0.00 C ATOM 667 NZ LYS A 40 -21.133 1.440 -10.812 1.00 0.00 N ATOM 0 H LYS A 40 -17.432 3.315 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.915 2.953 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.347 2.213 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.642 1.373 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.699 2.498 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.321 3.763 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.363 2.006 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.921 0.848 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.834 2.501 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.337 3.368 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.101 1.802 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.683 1.349 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.164 0.509 -10.350 1.00 0.00 H new ATOM 681 N GLY A 41 -16.246 5.714 -8.240 1.00 0.00 N ATOM 682 CA GLY A 41 -16.134 6.971 -8.957 1.00 0.00 C ATOM 683 C GLY A 41 -14.808 7.666 -8.707 1.00 0.00 C ATOM 684 O GLY A 41 -14.089 8.004 -9.648 1.00 0.00 O ATOM 0 H GLY A 41 -16.772 5.769 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.249 6.788 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.948 7.630 -8.657 1.00 0.00 H new ATOM 688 N VAL A 42 -14.482 7.877 -7.435 1.00 0.00 N ATOM 689 CA VAL A 42 -13.236 8.537 -7.071 1.00 0.00 C ATOM 690 C VAL A 42 -12.705 8.025 -5.736 1.00 0.00 C ATOM 691 O VAL A 42 -13.467 7.544 -4.897 1.00 0.00 O ATOM 692 CB VAL A 42 -13.413 10.065 -6.984 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.067 10.751 -6.803 1.00 0.00 C ATOM 694 CG2 VAL A 42 -14.125 10.591 -8.221 1.00 0.00 C ATOM 0 H VAL A 42 -15.062 7.601 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.518 8.303 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.029 10.291 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.213 11.830 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.599 10.397 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.423 10.518 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.241 11.672 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.537 10.353 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.107 10.125 -8.301 1.00 0.00 H new ATOM 704 N PHE A 43 -11.393 8.134 -5.545 1.00 0.00 N ATOM 705 CA PHE A 43 -10.761 7.684 -4.309 1.00 0.00 C ATOM 706 C PHE A 43 -10.987 8.691 -3.183 1.00 0.00 C ATOM 707 O PHE A 43 -11.469 9.799 -3.416 1.00 0.00 O ATOM 708 CB PHE A 43 -9.253 7.466 -4.499 1.00 0.00 C ATOM 709 CG PHE A 43 -8.837 7.112 -5.901 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.651 6.341 -6.716 1.00 0.00 C ATOM 711 CD2 PHE A 43 -7.621 7.552 -6.401 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.261 6.018 -8.002 1.00 0.00 C ATOM 713 CE2 PHE A 43 -7.226 7.231 -7.685 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.047 6.463 -8.487 1.00 0.00 C ATOM 0 H PHE A 43 -10.748 8.529 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.223 6.734 -4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.729 8.373 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.928 6.672 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.601 5.989 -6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.975 8.153 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.905 5.418 -8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.276 7.580 -8.061 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.740 6.211 -9.491 1.00 0.00 H new ATOM 724 N ASP A 44 -10.629 8.297 -1.964 1.00 0.00 N ATOM 725 CA ASP A 44 -10.787 9.163 -0.799 1.00 0.00 C ATOM 726 C ASP A 44 -9.545 10.029 -0.598 1.00 0.00 C ATOM 727 O ASP A 44 -8.463 9.520 -0.302 1.00 0.00 O ATOM 728 CB ASP A 44 -11.048 8.324 0.456 1.00 0.00 C ATOM 729 CG ASP A 44 -12.400 8.615 1.075 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.723 9.807 1.261 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.136 7.652 1.376 1.00 0.00 O ATOM 0 H ASP A 44 -10.227 7.383 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.642 9.816 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.988 7.266 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.266 8.520 1.190 1.00 0.00 H new ATOM 736 N ASP A 45 -9.707 11.339 -0.755 1.00 0.00 N ATOM 737 CA ASP A 45 -8.598 12.275 -0.591 1.00 0.00 C ATOM 738 C ASP A 45 -8.067 12.266 0.844 1.00 0.00 C ATOM 739 O ASP A 45 -6.973 12.762 1.109 1.00 0.00 O ATOM 740 CB ASP A 45 -9.040 13.690 -0.968 1.00 0.00 C ATOM 741 CG ASP A 45 -9.701 13.745 -2.332 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.185 13.097 -3.268 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.734 14.435 -2.464 1.00 0.00 O ATOM 0 H ASP A 45 -10.596 11.778 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.794 11.956 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.734 14.063 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.174 14.352 -0.960 1.00 0.00 H new ATOM 748 N GLU A 46 -8.844 11.703 1.767 1.00 0.00 N ATOM 749 CA GLU A 46 -8.437 11.639 3.166 1.00 0.00 C ATOM 750 C GLU A 46 -7.171 10.804 3.325 1.00 0.00 C ATOM 751 O GLU A 46 -6.167 11.275 3.864 1.00 0.00 O ATOM 752 CB GLU A 46 -9.561 11.047 4.019 1.00 0.00 C ATOM 753 CG GLU A 46 -10.867 11.815 3.919 1.00 0.00 C ATOM 754 CD GLU A 46 -11.586 11.919 5.251 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.265 12.843 6.028 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.471 11.078 5.515 1.00 0.00 O ATOM 0 H GLU A 46 -9.754 11.287 1.571 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.228 12.654 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.732 10.014 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.242 11.023 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.667 12.817 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.518 11.324 3.196 1.00 0.00 H new ATOM 763 N LYS A 47 -7.225 9.565 2.851 1.00 0.00 N ATOM 764 CA LYS A 47 -6.081 8.669 2.933 1.00 0.00 C ATOM 765 C LYS A 47 -4.978 9.127 1.991 1.00 0.00 C ATOM 766 O LYS A 47 -3.793 9.015 2.300 1.00 0.00 O ATOM 767 CB LYS A 47 -6.498 7.237 2.597 1.00 0.00 C ATOM 768 CG LYS A 47 -7.743 6.774 3.334 1.00 0.00 C ATOM 769 CD LYS A 47 -7.583 6.911 4.839 1.00 0.00 C ATOM 770 CE LYS A 47 -8.661 6.144 5.586 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.021 6.680 5.303 1.00 0.00 N ATOM 0 H LYS A 47 -8.049 9.159 2.406 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.700 8.692 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.673 7.161 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.675 6.563 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.601 7.359 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.950 5.734 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.601 6.543 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.626 7.964 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.620 5.092 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.466 6.195 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.723 6.163 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.054 7.690 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.237 6.562 4.293 1.00 0.00 H new ATOM 785 N ILE A 48 -5.379 9.653 0.841 1.00 0.00 N ATOM 786 CA ILE A 48 -4.431 10.139 -0.151 1.00 0.00 C ATOM 787 C ILE A 48 -3.747 11.415 0.336 1.00 0.00 C ATOM 788 O ILE A 48 -2.582 11.665 0.025 1.00 0.00 O ATOM 789 CB ILE A 48 -5.136 10.420 -1.498 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.608 9.114 -2.140 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.220 11.178 -2.449 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.717 9.310 -3.150 1.00 0.00 C ATOM 0 H ILE A 48 -6.358 9.754 0.572 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.681 9.362 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.006 11.045 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.762 8.631 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.953 8.437 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.742 11.362 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.936 12.130 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.325 10.586 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.004 8.345 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.578 9.765 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.369 9.962 -3.951 1.00 0.00 H new ATOM 804 N ALA A 49 -4.481 12.220 1.099 1.00 0.00 N ATOM 805 CA ALA A 49 -3.951 13.472 1.625 1.00 0.00 C ATOM 806 C ALA A 49 -2.753 13.211 2.525 1.00 0.00 C ATOM 807 O ALA A 49 -1.657 13.720 2.285 1.00 0.00 O ATOM 808 CB ALA A 49 -5.030 14.228 2.384 1.00 0.00 C ATOM 0 H ALA A 49 -5.446 12.026 1.367 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.623 14.085 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.618 15.160 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.860 14.449 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.387 13.618 3.214 1.00 0.00 H new ATOM 814 N GLU A 50 -2.967 12.406 3.558 1.00 0.00 N ATOM 815 CA GLU A 50 -1.896 12.071 4.486 1.00 0.00 C ATOM 816 C GLU A 50 -0.792 11.311 3.761 1.00 0.00 C ATOM 817 O GLU A 50 0.369 11.344 4.166 1.00 0.00 O ATOM 818 CB GLU A 50 -2.433 11.236 5.650 1.00 0.00 C ATOM 819 CG GLU A 50 -2.930 9.860 5.242 1.00 0.00 C ATOM 820 CD GLU A 50 -4.022 9.341 6.156 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.061 10.023 6.287 1.00 0.00 O ATOM 822 OE2 GLU A 50 -3.838 8.254 6.744 1.00 0.00 O ATOM 0 H GLU A 50 -3.866 11.976 3.773 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.484 12.997 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.646 11.121 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.248 11.779 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.306 9.902 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.095 9.160 5.246 1.00 0.00 H new ATOM 829 N LEU A 51 -1.164 10.637 2.675 1.00 0.00 N ATOM 830 CA LEU A 51 -0.213 9.876 1.886 1.00 0.00 C ATOM 831 C LEU A 51 0.873 10.801 1.343 1.00 0.00 C ATOM 832 O LEU A 51 2.060 10.592 1.590 1.00 0.00 O ATOM 833 CB LEU A 51 -0.940 9.159 0.744 1.00 0.00 C ATOM 834 CG LEU A 51 -0.215 7.951 0.165 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.079 7.256 -0.872 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.113 8.355 -0.440 1.00 0.00 C ATOM 0 H LEU A 51 -2.122 10.606 2.325 1.00 0.00 H new ATOM 0 HA LEU A 51 0.261 9.125 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.917 8.837 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.116 9.875 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.020 7.253 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.544 6.396 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.007 6.922 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.308 7.951 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.611 7.474 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.944 9.077 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.741 8.804 0.329 1.00 0.00 H new ATOM 848 N LEU A 52 0.458 11.841 0.617 1.00 0.00 N ATOM 849 CA LEU A 52 1.388 12.807 0.055 1.00 0.00 C ATOM 850 C LEU A 52 2.314 13.366 1.129 1.00 0.00 C ATOM 851 O LEU A 52 3.524 13.469 0.933 1.00 0.00 O ATOM 852 CB LEU A 52 0.599 13.927 -0.588 1.00 0.00 C ATOM 853 CG LEU A 52 -0.581 13.459 -1.436 1.00 0.00 C ATOM 854 CD1 LEU A 52 -0.844 14.461 -2.511 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.316 12.091 -2.056 1.00 0.00 C ATOM 0 H LEU A 52 -0.522 12.031 0.407 1.00 0.00 H new ATOM 0 HA LEU A 52 2.008 12.311 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.229 14.590 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.270 14.515 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.454 13.368 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.686 14.130 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.079 15.425 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.041 14.560 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.177 11.789 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.567 12.145 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.148 11.360 -1.265 1.00 0.00 H new ATOM 867 N THR A 53 1.730 13.721 2.271 1.00 0.00 N ATOM 868 CA THR A 53 2.497 14.264 3.385 1.00 0.00 C ATOM 869 C THR A 53 3.594 13.291 3.798 1.00 0.00 C ATOM 870 O THR A 53 4.758 13.671 3.938 1.00 0.00 O ATOM 871 CB THR A 53 1.578 14.553 4.573 1.00 0.00 C ATOM 872 OG1 THR A 53 0.395 15.204 4.145 1.00 0.00 O ATOM 873 CG2 THR A 53 2.222 15.422 5.632 1.00 0.00 C ATOM 0 H THR A 53 0.729 13.642 2.447 1.00 0.00 H new ATOM 0 HA THR A 53 2.959 15.197 3.063 1.00 0.00 H new ATOM 0 HB THR A 53 1.358 13.579 5.010 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.180 15.379 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.516 15.588 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.111 14.925 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.503 16.380 5.195 1.00 0.00 H new ATOM 881 N LYS A 54 3.218 12.029 3.978 1.00 0.00 N ATOM 882 CA LYS A 54 4.169 10.995 4.364 1.00 0.00 C ATOM 883 C LYS A 54 5.258 10.851 3.304 1.00 0.00 C ATOM 884 O LYS A 54 6.423 10.614 3.623 1.00 0.00 O ATOM 885 CB LYS A 54 3.447 9.659 4.568 1.00 0.00 C ATOM 886 CG LYS A 54 2.380 9.706 5.649 1.00 0.00 C ATOM 887 CD LYS A 54 1.252 8.728 5.362 1.00 0.00 C ATOM 888 CE LYS A 54 1.654 7.301 5.697 1.00 0.00 C ATOM 889 NZ LYS A 54 1.273 6.929 7.089 1.00 0.00 N ATOM 0 H LYS A 54 2.260 11.698 3.862 1.00 0.00 H new ATOM 0 HA LYS A 54 4.636 11.287 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.987 9.356 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.180 8.894 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.828 9.472 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.977 10.716 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.372 9.005 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.973 8.791 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.179 6.616 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.731 7.189 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.564 5.949 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.746 7.567 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.242 7.012 7.201 1.00 0.00 H new ATOM 903 N LEU A 55 4.869 11.007 2.042 1.00 0.00 N ATOM 904 CA LEU A 55 5.809 10.908 0.929 1.00 0.00 C ATOM 905 C LEU A 55 6.875 11.998 1.016 1.00 0.00 C ATOM 906 O LEU A 55 7.967 11.859 0.466 1.00 0.00 O ATOM 907 CB LEU A 55 5.070 11.029 -0.404 1.00 0.00 C ATOM 908 CG LEU A 55 4.264 9.798 -0.839 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.342 9.634 -2.342 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.762 8.533 -0.156 1.00 0.00 C ATOM 0 H LEU A 55 3.907 11.203 1.764 1.00 0.00 H new ATOM 0 HA LEU A 55 6.295 9.934 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.392 11.881 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.799 11.255 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 55 3.228 9.956 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.767 8.758 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.933 10.520 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.382 9.505 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.168 7.682 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.808 8.368 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.668 8.642 0.924 1.00 0.00 H new ATOM 922 N GLY A 56 6.542 13.091 1.700 1.00 0.00 N ATOM 923 CA GLY A 56 7.474 14.198 1.838 1.00 0.00 C ATOM 924 C GLY A 56 7.324 15.208 0.716 1.00 0.00 C ATOM 925 O GLY A 56 6.210 15.611 0.384 1.00 0.00 O ATOM 0 H GLY A 56 5.643 13.229 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.311 14.692 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.494 13.814 1.847 1.00 0.00 H new ATOM 929 N ARG A 57 8.443 15.614 0.122 1.00 0.00 N ATOM 930 CA ARG A 57 8.416 16.577 -0.975 1.00 0.00 C ATOM 931 C ARG A 57 8.485 15.863 -2.319 1.00 0.00 C ATOM 932 O ARG A 57 9.024 16.390 -3.292 1.00 0.00 O ATOM 933 CB ARG A 57 9.573 17.571 -0.847 1.00 0.00 C ATOM 934 CG ARG A 57 9.545 18.372 0.444 1.00 0.00 C ATOM 935 CD ARG A 57 10.056 19.789 0.234 1.00 0.00 C ATOM 936 NE ARG A 57 11.370 19.991 0.842 1.00 0.00 N ATOM 937 CZ ARG A 57 12.516 19.616 0.278 1.00 0.00 C ATOM 938 NH1 ARG A 57 12.515 19.013 -0.905 1.00 0.00 N ATOM 939 NH2 ARG A 57 13.665 19.838 0.901 1.00 0.00 N ATOM 0 H ARG A 57 9.376 15.293 0.380 1.00 0.00 H new ATOM 0 HA ARG A 57 7.476 17.126 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.516 17.028 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.546 18.259 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.526 18.405 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.155 17.872 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.114 19.999 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.346 20.498 0.660 1.00 0.00 H new ATOM 0 HE ARG A 57 11.411 20.447 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.633 18.835 -1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.396 18.728 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.671 20.296 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.543 19.551 0.469 1.00 0.00 H new ATOM 953 N ASP A 58 7.929 14.659 -2.357 1.00 0.00 N ATOM 954 CA ASP A 58 7.907 13.851 -3.567 1.00 0.00 C ATOM 955 C ASP A 58 6.475 13.512 -3.957 1.00 0.00 C ATOM 956 O ASP A 58 5.808 12.722 -3.287 1.00 0.00 O ATOM 957 CB ASP A 58 8.710 12.565 -3.361 1.00 0.00 C ATOM 958 CG ASP A 58 10.181 12.748 -3.681 1.00 0.00 C ATOM 959 OD1 ASP A 58 10.704 13.859 -3.456 1.00 0.00 O ATOM 960 OD2 ASP A 58 10.811 11.778 -4.154 1.00 0.00 O ATOM 0 H ASP A 58 7.483 14.217 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 58 8.362 14.427 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.604 12.234 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.298 11.777 -3.992 1.00 0.00 H new ATOM 965 N THR A 59 6.005 14.111 -5.040 1.00 0.00 N ATOM 966 CA THR A 59 4.650 13.865 -5.517 1.00 0.00 C ATOM 967 C THR A 59 4.582 12.538 -6.260 1.00 0.00 C ATOM 968 O THR A 59 5.573 12.081 -6.829 1.00 0.00 O ATOM 969 CB THR A 59 4.189 15.004 -6.428 1.00 0.00 C ATOM 970 OG1 THR A 59 2.882 14.758 -6.915 1.00 0.00 O ATOM 971 CG2 THR A 59 5.092 15.214 -7.625 1.00 0.00 C ATOM 0 H THR A 59 6.540 14.770 -5.606 1.00 0.00 H new ATOM 0 HA THR A 59 3.985 13.817 -4.655 1.00 0.00 H new ATOM 0 HB THR A 59 4.218 15.900 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.604 15.498 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.709 16.036 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.099 15.453 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.119 14.304 -8.225 1.00 0.00 H new ATOM 979 N GLN A 60 3.407 11.917 -6.245 1.00 0.00 N ATOM 980 CA GLN A 60 3.217 10.640 -6.907 1.00 0.00 C ATOM 981 C GLN A 60 3.264 10.800 -8.416 1.00 0.00 C ATOM 982 O GLN A 60 2.274 11.156 -9.054 1.00 0.00 O ATOM 983 CB GLN A 60 1.884 10.017 -6.494 1.00 0.00 C ATOM 984 CG GLN A 60 0.714 10.986 -6.546 1.00 0.00 C ATOM 985 CD GLN A 60 -0.452 10.452 -7.353 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.566 10.187 -6.680 1.00 0.00 O flip ATOM 987 NE2 GLN A 60 -0.353 10.277 -8.568 1.00 0.00 N flip ATOM 0 H GLN A 60 2.575 12.281 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 60 4.029 9.980 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.672 9.170 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.975 9.625 -5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.380 11.201 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.048 11.929 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.522 10.494 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.146 9.915 -9.097 1.00 0.00 H new ATOM 996 N ILE A 61 4.428 10.520 -8.973 1.00 0.00 N ATOM 997 CA ILE A 61 4.640 10.613 -10.412 1.00 0.00 C ATOM 998 C ILE A 61 4.104 9.373 -11.117 1.00 0.00 C ATOM 999 O ILE A 61 4.861 8.455 -11.437 1.00 0.00 O ATOM 1000 CB ILE A 61 6.134 10.782 -10.754 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.740 11.931 -9.947 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.313 11.023 -12.246 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.140 11.648 -9.449 1.00 0.00 C ATOM 0 H ILE A 61 5.250 10.223 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 61 4.099 11.493 -10.759 1.00 0.00 H new ATOM 0 HB ILE A 61 6.657 9.863 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.758 12.829 -10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.096 12.144 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.373 11.140 -12.471 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.916 10.174 -12.802 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.778 11.928 -12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.506 12.506 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.126 10.769 -8.804 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.798 11.464 -10.298 1.00 0.00 H new ATOM 1015 N GLY A 62 2.799 9.347 -11.352 1.00 0.00 N ATOM 1016 CA GLY A 62 2.190 8.208 -12.010 1.00 0.00 C ATOM 1017 C GLY A 62 2.332 6.936 -11.199 1.00 0.00 C ATOM 1018 O GLY A 62 2.309 5.835 -11.750 1.00 0.00 O ATOM 0 H GLY A 62 2.152 10.094 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.133 8.412 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.650 8.067 -12.988 1.00 0.00 H new ATOM 1022 N LEU A 63 2.487 7.088 -9.885 1.00 0.00 N ATOM 1023 CA LEU A 63 2.634 5.941 -8.994 1.00 0.00 C ATOM 1024 C LEU A 63 1.465 4.974 -9.159 1.00 0.00 C ATOM 1025 O LEU A 63 0.502 5.265 -9.871 1.00 0.00 O ATOM 1026 CB LEU A 63 2.732 6.408 -7.538 1.00 0.00 C ATOM 1027 CG LEU A 63 4.086 6.162 -6.870 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.343 4.671 -6.712 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.202 6.815 -7.671 1.00 0.00 C ATOM 0 H LEU A 63 2.514 7.993 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 63 3.553 5.418 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.513 7.475 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.960 5.903 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 63 4.066 6.612 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.311 4.517 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.560 4.230 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.342 4.196 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.158 6.630 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.222 6.395 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.027 7.889 -7.730 1.00 0.00 H new ATOM 1041 N THR A 64 1.554 3.823 -8.502 1.00 0.00 N ATOM 1042 CA THR A 64 0.503 2.821 -8.590 1.00 0.00 C ATOM 1043 C THR A 64 0.122 2.283 -7.214 1.00 0.00 C ATOM 1044 O THR A 64 0.808 2.528 -6.221 1.00 0.00 O ATOM 1045 CB THR A 64 0.949 1.667 -9.489 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.033 0.968 -8.906 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.381 2.116 -10.869 1.00 0.00 C ATOM 0 H THR A 64 2.340 3.563 -7.906 1.00 0.00 H new ATOM 0 HA THR A 64 -0.375 3.302 -9.020 1.00 0.00 H new ATOM 0 HB THR A 64 0.074 1.025 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.303 0.233 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.685 1.249 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.550 2.616 -11.366 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.220 2.806 -10.781 1.00 0.00 H new ATOM 1055 N MET A 65 -0.976 1.537 -7.174 1.00 0.00 N ATOM 1056 CA MET A 65 -1.459 0.946 -5.937 1.00 0.00 C ATOM 1057 C MET A 65 -1.303 -0.570 -5.980 1.00 0.00 C ATOM 1058 O MET A 65 -1.256 -1.163 -7.058 1.00 0.00 O ATOM 1059 CB MET A 65 -2.927 1.317 -5.709 1.00 0.00 C ATOM 1060 CG MET A 65 -3.207 2.804 -5.848 1.00 0.00 C ATOM 1061 SD MET A 65 -2.646 3.754 -4.423 1.00 0.00 S ATOM 1062 CE MET A 65 -2.918 5.427 -5.002 1.00 0.00 C ATOM 0 H MET A 65 -1.550 1.328 -7.991 1.00 0.00 H new ATOM 0 HA MET A 65 -0.866 1.337 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.546 0.771 -6.421 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.225 0.991 -4.712 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.716 3.180 -6.746 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.278 2.957 -5.983 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.685 6.131 -4.203 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.274 5.624 -5.859 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.961 5.545 -5.296 1.00 0.00 H new ATOM 1072 N PRO A 66 -1.204 -1.225 -4.811 1.00 0.00 N ATOM 1073 CA PRO A 66 -1.249 -0.579 -3.500 1.00 0.00 C ATOM 1074 C PRO A 66 0.105 -0.034 -3.054 1.00 0.00 C ATOM 1075 O PRO A 66 1.143 -0.655 -3.282 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.692 -1.716 -2.562 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.869 -2.922 -3.431 1.00 0.00 C ATOM 1078 CD PRO A 66 -1.056 -2.668 -4.664 1.00 0.00 C ATOM 0 HA PRO A 66 -1.911 0.287 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.945 -1.898 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.622 -1.462 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.531 -3.824 -2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.919 -3.072 -3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.014 -2.964 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.439 -3.211 -5.528 1.00 0.00 H new ATOM 1086 N GLN A 67 0.081 1.118 -2.386 1.00 0.00 N ATOM 1087 CA GLN A 67 1.300 1.731 -1.880 1.00 0.00 C ATOM 1088 C GLN A 67 1.481 1.375 -0.411 1.00 0.00 C ATOM 1089 O GLN A 67 0.556 1.498 0.382 1.00 0.00 O ATOM 1090 CB GLN A 67 1.248 3.250 -2.056 1.00 0.00 C ATOM 1091 CG GLN A 67 1.086 3.687 -3.503 1.00 0.00 C ATOM 1092 CD GLN A 67 1.269 5.181 -3.687 1.00 0.00 C ATOM 1093 OE1 GLN A 67 2.112 5.800 -3.039 1.00 0.00 O ATOM 1094 NE2 GLN A 67 0.476 5.767 -4.576 1.00 0.00 N ATOM 0 H GLN A 67 -0.770 1.643 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 67 2.149 1.350 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.420 3.648 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.162 3.686 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.811 3.157 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.095 3.400 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.209 5.214 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.552 6.770 -4.744 1.00 0.00 H new ATOM 1103 N VAL A 68 2.664 0.911 -0.047 1.00 0.00 N ATOM 1104 CA VAL A 68 2.917 0.529 1.332 1.00 0.00 C ATOM 1105 C VAL A 68 3.661 1.617 2.089 1.00 0.00 C ATOM 1106 O VAL A 68 4.289 2.489 1.491 1.00 0.00 O ATOM 1107 CB VAL A 68 3.703 -0.795 1.428 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.621 -1.362 2.838 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.184 -1.805 0.412 1.00 0.00 C ATOM 0 H VAL A 68 3.456 0.790 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 68 1.939 0.386 1.793 1.00 0.00 H new ATOM 0 HB VAL A 68 4.749 -0.590 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.181 -2.296 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.045 -0.647 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.578 -1.550 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.752 -2.731 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.130 -2.007 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.298 -1.401 -0.594 1.00 0.00 H new ATOM 1119 N PHE A 69 3.589 1.553 3.413 1.00 0.00 N ATOM 1120 CA PHE A 69 4.248 2.532 4.261 1.00 0.00 C ATOM 1121 C PHE A 69 4.837 1.859 5.497 1.00 0.00 C ATOM 1122 O PHE A 69 4.226 0.969 6.090 1.00 0.00 O ATOM 1123 CB PHE A 69 3.259 3.627 4.658 1.00 0.00 C ATOM 1124 CG PHE A 69 3.176 4.733 3.649 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.377 4.610 2.519 1.00 0.00 C ATOM 1126 CD2 PHE A 69 3.916 5.890 3.819 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.318 5.624 1.585 1.00 0.00 C ATOM 1128 CE2 PHE A 69 3.859 6.907 2.887 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.060 6.774 1.768 1.00 0.00 C ATOM 0 H PHE A 69 3.079 0.831 3.921 1.00 0.00 H new ATOM 0 HA PHE A 69 5.066 2.988 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.271 3.187 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.553 4.043 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.796 3.712 2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.545 5.999 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.692 5.518 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.439 7.806 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.016 7.568 1.037 1.00 0.00 H new ATOM 1139 N ALA A 70 6.048 2.275 5.852 1.00 0.00 N ATOM 1140 CA ALA A 70 6.772 1.704 6.989 1.00 0.00 C ATOM 1141 C ALA A 70 5.885 1.535 8.222 1.00 0.00 C ATOM 1142 O ALA A 70 5.096 2.420 8.556 1.00 0.00 O ATOM 1143 CB ALA A 70 7.974 2.571 7.336 1.00 0.00 C ATOM 0 H ALA A 70 6.556 3.013 5.365 1.00 0.00 H new ATOM 0 HA ALA A 70 7.106 0.711 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.504 2.136 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.644 2.625 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.636 3.574 7.596 1.00 0.00 H new ATOM 1149 N PRO A 71 6.029 0.396 8.932 1.00 0.00 N ATOM 1150 CA PRO A 71 5.262 0.114 10.154 1.00 0.00 C ATOM 1151 C PRO A 71 5.243 1.305 11.103 1.00 0.00 C ATOM 1152 O PRO A 71 4.323 1.462 11.905 1.00 0.00 O ATOM 1153 CB PRO A 71 6.029 -1.058 10.768 1.00 0.00 C ATOM 1154 CG PRO A 71 6.604 -1.768 9.597 1.00 0.00 C ATOM 1155 CD PRO A 71 6.975 -0.692 8.616 1.00 0.00 C ATOM 0 HA PRO A 71 4.213 -0.101 9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.809 -0.712 11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.370 -1.708 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.476 -2.355 9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.882 -2.461 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.010 -0.374 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.867 -1.032 7.586 1.00 0.00 H new ATOM 1163 N ASP A 72 6.266 2.142 10.998 1.00 0.00 N ATOM 1164 CA ASP A 72 6.380 3.326 11.835 1.00 0.00 C ATOM 1165 C ASP A 72 7.492 4.229 11.314 1.00 0.00 C ATOM 1166 O ASP A 72 8.252 4.807 12.090 1.00 0.00 O ATOM 1167 CB ASP A 72 6.654 2.927 13.285 1.00 0.00 C ATOM 1168 CG ASP A 72 5.575 3.409 14.234 1.00 0.00 C ATOM 1169 OD1 ASP A 72 5.317 4.631 14.268 1.00 0.00 O ATOM 1170 OD2 ASP A 72 4.987 2.566 14.944 1.00 0.00 O ATOM 0 H ASP A 72 7.033 2.021 10.337 1.00 0.00 H new ATOM 0 HA ASP A 72 5.438 3.873 11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.733 1.842 13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.615 3.336 13.595 1.00 0.00 H new ATOM 1175 N GLY A 73 7.590 4.331 9.989 1.00 0.00 N ATOM 1176 CA GLY A 73 8.623 5.158 9.389 1.00 0.00 C ATOM 1177 C GLY A 73 8.130 5.976 8.212 1.00 0.00 C ATOM 1178 O GLY A 73 7.336 6.901 8.377 1.00 0.00 O ATOM 0 H GLY A 73 6.976 3.859 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.025 5.831 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.444 4.520 9.061 1.00 0.00 H new ATOM 1182 N SER A 74 8.620 5.641 7.021 1.00 0.00 N ATOM 1183 CA SER A 74 8.243 6.356 5.802 1.00 0.00 C ATOM 1184 C SER A 74 7.747 5.400 4.725 1.00 0.00 C ATOM 1185 O SER A 74 7.560 4.209 4.970 1.00 0.00 O ATOM 1186 CB SER A 74 9.433 7.157 5.273 1.00 0.00 C ATOM 1187 OG SER A 74 9.008 8.176 4.383 1.00 0.00 O ATOM 0 H SER A 74 9.280 4.878 6.873 1.00 0.00 H new ATOM 0 HA SER A 74 7.429 7.035 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.976 7.602 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.126 6.489 4.762 1.00 0.00 H new ATOM 0 HG SER A 74 9.328 7.975 3.479 1.00 0.00 H new ATOM 1193 N HIS A 75 7.530 5.944 3.537 1.00 0.00 N ATOM 1194 CA HIS A 75 7.049 5.167 2.402 1.00 0.00 C ATOM 1195 C HIS A 75 8.099 4.159 1.942 1.00 0.00 C ATOM 1196 O HIS A 75 9.298 4.427 2.010 1.00 0.00 O ATOM 1197 CB HIS A 75 6.693 6.113 1.257 1.00 0.00 C ATOM 1198 CG HIS A 75 6.132 5.424 0.051 1.00 0.00 C ATOM 1199 ND1 HIS A 75 5.000 4.689 -0.087 1.00 0.00 N flip ATOM 1200 CD2 HIS A 75 6.723 5.449 -1.194 1.00 0.00 C flip ATOM 1201 CE1 HIS A 75 4.889 4.263 -1.408 1.00 0.00 C flip ATOM 1202 NE2 HIS A 75 5.947 4.746 -2.030 1.00 0.00 N flip ATOM 0 H HIS A 75 7.681 6.932 3.332 1.00 0.00 H new ATOM 0 HA HIS A 75 6.163 4.611 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.968 6.844 1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.586 6.666 0.965 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.336 4.481 0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.647 5.946 -1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.100 3.662 -1.835 1.00 0.00 H new ATOM 1210 N ILE A 76 7.641 3.001 1.475 1.00 0.00 N ATOM 1211 CA ILE A 76 8.545 1.955 1.003 1.00 0.00 C ATOM 1212 C ILE A 76 8.234 1.569 -0.443 1.00 0.00 C ATOM 1213 O ILE A 76 9.140 1.268 -1.220 1.00 0.00 O ATOM 1214 CB ILE A 76 8.474 0.703 1.909 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.065 1.012 3.284 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.203 -0.476 1.280 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.034 1.037 4.384 1.00 0.00 C ATOM 0 H ILE A 76 6.651 2.763 1.413 1.00 0.00 H new ATOM 0 HA ILE A 76 9.557 2.358 1.046 1.00 0.00 H new ATOM 0 HB ILE A 76 7.425 0.430 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.823 0.265 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.570 1.977 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.135 -1.340 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.746 -0.716 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.251 -0.217 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.520 1.262 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.289 1.803 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.546 0.064 4.448 1.00 0.00 H new ATOM 1229 N GLY A 77 6.954 1.577 -0.800 1.00 0.00 N ATOM 1230 CA GLY A 77 6.565 1.229 -2.155 1.00 0.00 C ATOM 1231 C GLY A 77 5.493 0.160 -2.201 1.00 0.00 C ATOM 1232 O GLY A 77 4.736 -0.011 -1.249 1.00 0.00 O ATOM 0 H GLY A 77 6.182 1.817 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.204 2.122 -2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.442 0.882 -2.702 1.00 0.00 H new ATOM 1236 N GLY A 78 5.422 -0.551 -3.321 1.00 0.00 N ATOM 1237 CA GLY A 78 4.430 -1.600 -3.476 1.00 0.00 C ATOM 1238 C GLY A 78 4.957 -2.961 -3.066 1.00 0.00 C ATOM 1239 O GLY A 78 5.649 -3.087 -2.056 1.00 0.00 O ATOM 0 H GLY A 78 6.035 -0.420 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.553 -1.358 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.105 -1.638 -4.516 1.00 0.00 H new ATOM 1243 N PHE A 79 4.629 -3.984 -3.852 1.00 0.00 N ATOM 1244 CA PHE A 79 5.077 -5.341 -3.559 1.00 0.00 C ATOM 1245 C PHE A 79 6.571 -5.487 -3.827 1.00 0.00 C ATOM 1246 O PHE A 79 7.368 -5.610 -2.897 1.00 0.00 O ATOM 1247 CB PHE A 79 4.295 -6.356 -4.398 1.00 0.00 C ATOM 1248 CG PHE A 79 4.682 -7.781 -4.125 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.676 -8.278 -2.831 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.057 -8.623 -5.160 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.033 -9.588 -2.574 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.416 -9.934 -4.910 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.406 -10.417 -3.614 1.00 0.00 C ATOM 0 H PHE A 79 4.057 -3.899 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 79 4.892 -5.537 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.230 -6.233 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.453 -6.141 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.389 -7.633 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.069 -8.250 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.020 -9.963 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.704 -10.581 -5.726 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.689 -11.440 -3.416 1.00 0.00 H new ATOM 1263 N ASP A 80 6.946 -5.464 -5.103 1.00 0.00 N ATOM 1264 CA ASP A 80 8.347 -5.590 -5.490 1.00 0.00 C ATOM 1265 C ASP A 80 9.186 -4.512 -4.814 1.00 0.00 C ATOM 1266 O ASP A 80 10.226 -4.799 -4.214 1.00 0.00 O ATOM 1267 CB ASP A 80 8.491 -5.486 -7.009 1.00 0.00 C ATOM 1268 CG ASP A 80 9.912 -5.743 -7.473 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.738 -4.809 -7.401 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.197 -6.879 -7.907 1.00 0.00 O ATOM 0 H ASP A 80 6.300 -5.359 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 80 8.705 -6.568 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.821 -6.202 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.179 -4.493 -7.334 1.00 0.00 H new ATOM 1275 N GLN A 81 8.725 -3.269 -4.908 1.00 0.00 N ATOM 1276 CA GLN A 81 9.427 -2.145 -4.302 1.00 0.00 C ATOM 1277 C GLN A 81 9.695 -2.422 -2.829 1.00 0.00 C ATOM 1278 O GLN A 81 10.742 -2.051 -2.297 1.00 0.00 O ATOM 1279 CB GLN A 81 8.609 -0.861 -4.452 1.00 0.00 C ATOM 1280 CG GLN A 81 9.455 0.401 -4.470 1.00 0.00 C ATOM 1281 CD GLN A 81 9.714 0.910 -5.874 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.588 2.104 -6.147 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.075 0.004 -6.775 1.00 0.00 N ATOM 0 H GLN A 81 7.868 -3.015 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 81 10.379 -2.016 -4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.031 -0.914 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.894 -0.798 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.954 1.178 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.407 0.203 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.167 -0.975 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.260 0.287 -7.737 1.00 0.00 H new ATOM 1292 N LEU A 82 8.748 -3.087 -2.177 1.00 0.00 N ATOM 1293 CA LEU A 82 8.893 -3.422 -0.770 1.00 0.00 C ATOM 1294 C LEU A 82 9.688 -4.708 -0.594 1.00 0.00 C ATOM 1295 O LEU A 82 10.392 -4.875 0.400 1.00 0.00 O ATOM 1296 CB LEU A 82 7.542 -3.551 -0.089 1.00 0.00 C ATOM 1297 CG LEU A 82 7.650 -3.779 1.412 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.634 -2.951 2.170 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.493 -5.249 1.727 1.00 0.00 C ATOM 0 H LEU A 82 7.875 -3.403 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 82 9.439 -2.605 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.961 -2.647 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.993 -4.379 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 82 8.639 -3.456 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.738 -3.137 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.803 -1.893 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.629 -3.226 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.572 -5.401 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.518 -5.593 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.276 -5.815 1.222 1.00 0.00 H new ATOM 1311 N ARG A 83 9.599 -5.609 -1.571 1.00 0.00 N ATOM 1312 CA ARG A 83 10.347 -6.862 -1.507 1.00 0.00 C ATOM 1313 C ARG A 83 11.812 -6.557 -1.231 1.00 0.00 C ATOM 1314 O ARG A 83 12.509 -7.331 -0.574 1.00 0.00 O ATOM 1315 CB ARG A 83 10.206 -7.644 -2.814 1.00 0.00 C ATOM 1316 CG ARG A 83 8.891 -8.399 -2.934 1.00 0.00 C ATOM 1317 CD ARG A 83 8.999 -9.548 -3.922 1.00 0.00 C ATOM 1318 NE ARG A 83 9.404 -10.793 -3.272 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.609 -11.936 -3.922 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.446 -11.998 -5.238 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.975 -13.022 -3.254 1.00 0.00 N ATOM 0 H ARG A 83 9.024 -5.497 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 83 9.944 -7.476 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.296 -6.953 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.031 -8.352 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.600 -8.784 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.105 -7.715 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.038 -9.693 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.721 -9.293 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 83 9.537 -10.785 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.162 -11.167 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.605 -12.877 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.099 -12.981 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.132 -13.898 -3.752 1.00 0.00 H new ATOM 1335 N GLU A 84 12.262 -5.402 -1.718 1.00 0.00 N ATOM 1336 CA GLU A 84 13.633 -4.971 -1.497 1.00 0.00 C ATOM 1337 C GLU A 84 13.841 -4.703 -0.013 1.00 0.00 C ATOM 1338 O GLU A 84 14.911 -4.964 0.536 1.00 0.00 O ATOM 1339 CB GLU A 84 13.942 -3.714 -2.312 1.00 0.00 C ATOM 1340 CG GLU A 84 15.422 -3.371 -2.364 1.00 0.00 C ATOM 1341 CD GLU A 84 15.763 -2.432 -3.507 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.095 -2.512 -4.559 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.697 -1.619 -3.347 1.00 0.00 O ATOM 0 H GLU A 84 11.697 -4.753 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 84 14.312 -5.759 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.573 -3.851 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.397 -2.872 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.718 -2.912 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.001 -4.289 -2.468 1.00 0.00 H new ATOM 1350 N TYR A 85 12.790 -4.206 0.636 1.00 0.00 N ATOM 1351 CA TYR A 85 12.829 -3.930 2.061 1.00 0.00 C ATOM 1352 C TYR A 85 12.991 -5.239 2.827 1.00 0.00 C ATOM 1353 O TYR A 85 13.632 -5.288 3.876 1.00 0.00 O ATOM 1354 CB TYR A 85 11.538 -3.225 2.481 1.00 0.00 C ATOM 1355 CG TYR A 85 11.565 -2.650 3.877 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.492 -3.476 4.991 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.652 -1.281 4.081 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.507 -2.953 6.268 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.668 -0.748 5.354 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.596 -1.588 6.446 1.00 0.00 C ATOM 1361 OH TYR A 85 11.611 -1.062 7.717 1.00 0.00 O ATOM 0 H TYR A 85 11.899 -3.987 0.190 1.00 0.00 H new ATOM 0 HA TYR A 85 13.675 -3.280 2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.331 -2.421 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.712 -3.933 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.422 -4.545 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.708 -0.620 3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.449 -3.609 7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.736 0.321 5.494 1.00 0.00 H new ATOM 0 HH TYR A 85 11.679 -0.086 7.666 1.00 0.00 H new ATOM 1371 N PHE A 86 12.409 -6.302 2.273 1.00 0.00 N ATOM 1372 CA PHE A 86 12.470 -7.630 2.876 1.00 0.00 C ATOM 1373 C PHE A 86 13.713 -8.390 2.418 1.00 0.00 C ATOM 1374 O PHE A 86 14.205 -9.271 3.123 1.00 0.00 O ATOM 1375 CB PHE A 86 11.207 -8.419 2.510 1.00 0.00 C ATOM 1376 CG PHE A 86 10.020 -8.068 3.361 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.157 -7.885 4.729 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.773 -7.894 2.790 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.073 -7.528 5.504 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.684 -7.544 3.563 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.835 -7.360 4.921 1.00 0.00 C ATOM 0 H PHE A 86 11.885 -6.266 1.399 1.00 0.00 H new ATOM 0 HA PHE A 86 12.529 -7.514 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.962 -8.235 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.412 -9.485 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.123 -8.023 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.649 -8.034 1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.194 -7.380 6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.715 -7.414 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.985 -7.085 5.527 1.00 0.00 H new ATOM 1391 N LYS A 87 14.214 -8.046 1.236 1.00 0.00 N ATOM 1392 CA LYS A 87 15.398 -8.700 0.691 1.00 0.00 C ATOM 1393 C LYS A 87 15.144 -10.187 0.468 1.00 0.00 C ATOM 1394 O LYS A 87 14.811 -10.566 -0.674 1.00 0.00 O ATOM 1395 CB LYS A 87 16.593 -8.508 1.628 1.00 0.00 C ATOM 1396 CG LYS A 87 17.465 -7.317 1.268 1.00 0.00 C ATOM 1397 CD LYS A 87 18.687 -7.229 2.168 1.00 0.00 C ATOM 1398 CE LYS A 87 19.924 -6.814 1.390 1.00 0.00 C ATOM 1399 NZ LYS A 87 21.173 -7.332 2.014 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.281 -10.962 1.438 1.00 0.00 O ATOM 0 H LYS A 87 13.819 -7.320 0.638 1.00 0.00 H new ATOM 0 HA LYS A 87 15.625 -8.240 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.228 -8.385 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.203 -9.411 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.783 -7.398 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.883 -6.400 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.501 -6.511 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.861 -8.195 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.850 -7.182 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.970 -5.726 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.994 -7.027 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.258 -6.960 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 21.141 -8.371 2.044 1.00 0.00 H new